SCHEMBL13045873

SCHEMBL13045873

Cc1ccc(-c2nc(S)nc(N)c2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.57
ADORA2A P29274 5/20 0.57
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PKM P14618 1/20 0.48
ALOX12 P18054 1/20 0.48
ADORA2B P29275 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AURKA O14965 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL410890 0.78 ADORA2A (0.53) ADORA1ADORA2AHSD17B10ALDH1A1KMT2A
SCHEMBL3369656 0.78 ADORA1 (0.83) ADORA1ADORA2ANPSR1HSD17B10ALDH1A1
SCHEMBL13914223 0.75 KDM4E (0.58) ADORA1ADORA2ANPSR1HSD17B10ALDH1A1
SCHEMBL5319277 0.72 ADORA1 (0.70) ADORA1ADORA2ANPSR1ALDH1A1KMT2A
SCHEMBL5321086 0.72 ADORA1 (0.70) ADORA1ADORA2AALDH1A1KMT2AHPGD
SCHEMBL28822962 0.70 ERBB2 (0.53) ADORA1ADORA2ANPSR1HSD17B10ALDH1A1
SCHEMBL27573259 0.70 ADORA1 (0.67) ADORA1ADORA2ANPSR1HSD17B10ALDH1A1
SCHEMBL8914694 0.69 ADORA1 (0.54) ADORA1ADORA2ANPSR1ALDH1A1KMT2A
SCHEMBL6222930 0.69 ADORA2A (0.57) ADORA1ADORA2ANPSR1HSD17B10ALDH1A1
SCHEMBL396360 0.68 ADORA1 (0.69) ADORA1ADORA2ANPSR1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2A 1/4885NPSR1 527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.